LAMMPS (24 Dec 2020)
  using 1 OpenMP thread(s) per MPI task

processors * * 1
units metal
boundary p p f
read_data adatom.data
Reading data file ...
  orthogonal box = (0.0000000 0.0000000 0.0000000) to (17.121441 14.827603 39.319732)
  1 by 1 by 1 MPI processor grid
  reading atoms ...
  181 atoms
  read_data CPU = 0.002 seconds

pair_style agni
pair_coeff * * Al_jpc.agni Al
Reading agni potential file Al_jpc.agni with DATE: 2017-02-24
WARNING: Ignoring unknown tag 'Rs' in AGNI potential file. (src/USER-MISC/pair_agni.cpp:440)
WARNING: Ignoring unknown tag 'neighbors' in AGNI potential file. (src/USER-MISC/pair_agni.cpp:440)
WARNING: Ignoring unknown tag 'lambda' in AGNI potential file. (src/USER-MISC/pair_agni.cpp:440)

neighbor 0.3 bin
neigh_modify delay 2 check yes

timestep 0.0005
velocity all create 500 12345
fix 1 all nvt temp 250 250 0.2
fix 5 all momentum 1 linear 1 1 1

thermo 100
thermo_style custom step ke temp

# dump MyDump all custom 250 dump.atoms id type x y z vx vy vz fx fy fz

run 1000
Neighbor list info ...
  update every 1 steps, delay 2 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 8.3
  ghost atom cutoff = 8.3
  binsize = 4.15, bins = 5 4 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair agni, perpetual
      attributes: full, newton on
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.072 | 3.072 | 3.072 Mbytes
Step KinEng Temp 
       0    11.633413          500 
     100    4.6059941    197.96401 
     200    7.3700156    316.76068 
     300    6.0443915    259.78582 
     400     6.163119    264.88869 
     500    6.2647284    269.25582 
     600    5.2732533    226.64257 
     700     5.651448    242.89725 
     800    6.5572404    281.82788 
     900    6.0576743    260.35671 
    1000    6.5622234    282.04205 
Loop time of 16.4158 on 1 procs for 1000 steps with 181 atoms

Performance: 2.632 ns/day, 9.120 hours/ns, 60.917 timesteps/s
97.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 16.395     | 16.395     | 16.395     |   0.0 | 99.88
Neigh   | 0.013275   | 0.013275   | 0.013275   |   0.0 |  0.08
Comm    | 0.0023484  | 0.0023484  | 0.0023484  |   0.0 |  0.01
Output  | 0.00014842 | 0.00014842 | 0.00014842 |   0.0 |  0.00
Modify  | 0.0035522  | 0.0035522  | 0.0035522  |   0.0 |  0.02
Other   |            | 0.001173   |            |       |  0.01

Nlocal:        181.000 ave         181 max         181 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        563.000 ave         563 max         563 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      19484.0 ave       19484 max       19484 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 19484
Ave neighs/atom = 107.64641
Neighbor list builds = 33
Dangerous builds = 0

Please see the log.cite file for references relevant to this simulation

Total wall time: 0:00:16
